2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol

C17H18F2O — CID 115838074

IUPAC2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C17H18F2O/c1-2-5-12-6-3-7-13(10-12)16(20)11-14-8-4-9-15(18)17(14)19/h3-4,6-10,16,20H,2,5,11H2,1H3
InChIKeyBCMCGOIPCDXMER-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.19
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol

2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol (PubChem CID 115838074) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
PubChem CID115838074
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C17H18F2O/c1-2-5-12-6-3-7-13(10-12)16(20)11-14-8-4-9-15(18)17(14)19/h3-4,6-10,16,20H,2,5,11H2,1H3
InChIKeyBCMCGOIPCDXMER-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502950
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
[2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethyl]hydrazine
CID 105264454
[2-(2,6-difluorophenyl)-1-(3-propylphenyl)ethyl]hydrazine
CID 105340462
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
CID 66743557
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
1-(3-butylphenyl)butan-1-ol
CID 158563510
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol (CID 115838074) is 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol is CCCc1cccc(C(O)Cc2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol?
The InChIKey is BCMCGOIPCDXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-2-5-12-6-3-7-13(10-12)16(20)11-14-8-4-9-15(18)17(14)19/h3-4,6-10,16,20H,2,5,11H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol?
2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol has a molecular weight of 276.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol is sourced from PubChem (CID 115838074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).